SCHEMBL7411480

SCHEMBL7411480

COc1cc(-c2ccccc2)ccc1C[C@@H](C(=O)O)N(C)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
PPARD Q03181 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
SLC6A9 P48067 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7411122 0.79 ALDH1A1 (0.52) PPARGPPARA
SCHEMBL7417462 0.78 HSD17B2 (0.51) KMT2APOLB
SCHEMBL7409300 0.78 LDHA (0.44) PPARGPPARASMN1; SMN2
SCHEMBL7417513 0.77 PPARG (0.55) PPARGPPARA
SCHEMBL7411486 0.77 MME (0.47) PDCD1CD274PPARGPPARAPPARD
SCHEMBL7411493 0.77 MME (0.47) PDCD1CD274PPARGPPARAPPARD
SCHEMBL7339373 0.76 TPH1 (0.47) PDCD1CD274MEN1KMT2A
SCHEMBL7339381 0.76 TPH1 (0.47) PDCD1CD274MEN1KMT2A
SCHEMBL7418112 0.75 PDCD1 (0.43) PDCD1CD274PPARGPPARAPPARD
SCHEMBL7418109 0.74 ACP3 (0.44) PDCD1CD274PPARGPPARAPPARD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0660840-B1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
WO-1996026729-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES AS ECE INHIBITORS CIBA-GEIGY AG (CH) 1996-09-06 WO disclosed
US-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
EP-0660840-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES. CIBA GEIGY AG (CH) 1995-07-05 EP disclosed
WO-1994005677-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1994-03-17 WO disclosed
US-5250522-A Neutral endopeptidase inhibitors; cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1993-10-05 US disclosed